Information card for entry 7119091

Structure parameters

• Chemical name: Compound 1
• Formula: C12 H28.5 B10 Br N2.5
• Calculated formula: C12 H28.5 B10 Br N2.5
• Title of publication: Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium
• Authors of publication: Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6443
• a: 7.6257 ± 0.0003 Å
• b: 25.7293 ± 0.001 Å
• c: 10.2076 ± 0.0006 Å
• α: 90°
• β: 92.279 ± 0.004°
• γ: 90°
• Cell volume: 2001.19 ± 0.16 ų
• Cell temperature: 119.99 ± 0.14 K
• Ambient diffraction temperature: 119.99 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No